2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C14H26N6O — CID 80835644

IUPAC2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC(C)C)nc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C14H26N6O/c1-10(2)21-14-17-12(15-3)16-13(18-14)20(5)9-11-7-6-8-19(11)4/h10-11H,6-9H2,1-5H3,(H,15,16,17,18)
InChIKeyMVGHERZKFFJPCS-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.23
Rot. Bonds6

About 2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80835644) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80835644
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC(C)C)nc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C14H26N6O/c1-10(2)21-14-17-12(15-3)16-13(18-14)20(5)9-11-7-6-8-19(11)4/h10-11H,6-9H2,1-5H3,(H,15,16,17,18)
InChIKeyMVGHERZKFFJPCS-UHFFFAOYSA-N
XLogP1.23
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N,4-N-dimethyl-2-N-(oxan-3-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818463
6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848203
N-(cyclobutylmethyl)-4-hydrazinyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80918854
2-N-(cyclopropylmethyl)-2-N-ethyl-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80840106
6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848516
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80780568
4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79315410
4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80790304
2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80797891
2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80835728
2-N-(cyclohexylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80800038
2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine
CID 80848914

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80835644) is 2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CNc1nc(OC(C)C)nc(N(C)CC2CCCN2C)n1.
What is the InChIKey of 2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is MVGHERZKFFJPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-10(2)21-14-17-12(15-3)16-13(18-14)20(5)9-11-7-6-8-19(11)4/h10-11H,6-9H2,1-5H3,(H,15,16,17,18).
What are the key properties of 2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 294.40 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80835644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).